5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

C25H23ClF3N3O3 — CID 68884088

About 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (PubChem CID 68884088) has the molecular formula C25H23ClF3N3O3 and a molecular weight of 505.92 g/mol. Its IUPAC name is 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
• PubChem CID: 68884088
• Molecular Formula: C25H23ClF3N3O3
• Molecular Weight: 505.92 g/mol
• Exact Mass: 505.14
• IUPAC Name: 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
• SMILES: Cc1c(C(=O)N(C)C)cc(C(=O)NC(C)c2ccc(Cl)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H23ClF3N3O3/c1-14(16-8-10-18(26)11-9-16)30-22(33)21-13-20(23(34)31(3)4)15(2)32(24(21)35)19-7-5-6-17(12-19)25(27,28)29/h5-14H,1-4H3,(H,30,33)
• InChIKey: MYHQNPOMJPMCGQ-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 71.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.92
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?

The IUPAC name of 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (CID 68884088) is 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.

What is the SMILES notation for 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?

The canonical SMILES for 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is Cc1c(C(=O)N(C)C)cc(C(=O)NC(C)c2ccc(Cl)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?

The InChIKey is MYHQNPOMJPMCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N3O3/c1-14(16-8-10-18(26)11-9-16)30-22(33)21-13-20(23(34)31(3)4)15(2)32(24(21)35)19-7-5-6-17(12-19)25(27,28)29/h5-14H,1-4H3,(H,30,33).

What are the key properties of 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?

5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide has a molecular weight of 505.92 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 68884088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).